Chemical Properties of Dehydroergosterol (CAS 516-85-8)

Dehydroergosterol

InChI
InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m1/s1
InChI Key
QSVJYFLQYMVBDR-JTVTWGPISA-N
Formula
C28H42O
SMILES
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3=CCC21C
Molecular Weight1
394.63
CAS
516-85-8
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Physical Properties

Property Value Unit Source
ΔfusH° 35.01 kJ/mol Joback Calculated Property
logPoct/wat 7.251 Crippen Calculated Property
McVol 350.610 ml/mol McGowan Calculated Property
Inp [3150.00; 3214.90]   Show Hide
Inp 3214.90 NIST
Inp 3150.00 NIST
Inp 3214.90 NIST
Inp 3150.00 NIST
Tfus 419.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [461.43; 1299.72] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.90880e+02
Coefficient B3.50202e+00
Coefficient C-3.04252e-03
Coefficient D1.13110e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 461.43 J/mol×K 273.00 Calculated Property
Cp,gas 617.34 J/mol×K 353.78 Calculated Property
Cp,gas 749.22 J/mol×K 434.56 Calculated Property
Cp,gas 860.63 J/mol×K 515.33 Calculated Property
Cp,gas 955.16 J/mol×K 596.11 Calculated Property
Cp,gas 1036.38 J/mol×K 676.89 Calculated Property
Cp,gas 1107.87 J/mol×K 757.67 Calculated Property
Cp,gas 1173.20 J/mol×K 838.44 Calculated Property
Cp,gas 1235.96 J/mol×K 919.22 Calculated Property
Cp,gas 1299.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pregnenolone-7,9(11)-dien. 17-(1,5-Dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol. Ergosterol. 24-Ethylcholesta-5,7,22-trien-3-«beta»-ol. 9-«alpha»-H,10-«beta»-Methyl ergosterol. Ergosta-5,7,9(11),22-tetraen-3«beta»-ol, TMS. Ergocalciferol. Ergosta-5,8,22-trien-3-ol, (3.beta.,22E)-. 24-Ethylcholesta-5,22,25-trien-3-«beta»-ol. 24-Ethylcholesta-5,7-dien-3-«beta»-ol. Ergosta-5,7-dien-3-ol, (3«beta»)-. Cholesta-5,7-dien-3-ol, (3«beta»)-. Dihydrotachysterol. Cholecalciferol. 5,7-Pregnadiene-3.beta.,20.alpha.-diol.

Find more compounds similar to Dehydroergosterol.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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